1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea

C24H25N5O3 — CID 50788032

IUPAC1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C24H25N5O3/c1-31-19-13-18(14-20(15-19)32-2)27-24(30)26-12-10-22-28-21-9-6-11-25-23(21)29(22)16-17-7-4-3-5-8-17/h3-9,11,13-15H,10,12,16H2,1-2H3,(H2,26,27,30)
InChIKeyICBMPVOBWQHFDE-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.86
Rot. Bonds8

About 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea

1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 50788032) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID50788032
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C24H25N5O3/c1-31-19-13-18(14-20(15-19)32-2)27-24(30)26-12-10-22-28-21-9-6-11-25-23(21)29(22)16-17-7-4-3-5-8-17/h3-9,11,13-15H,10,12,16H2,1-2H3,(H2,26,27,30)
InChIKeyICBMPVOBWQHFDE-UHFFFAOYSA-N
XLogP3.86
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46331417
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 50788025
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 122485172
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea (CID 50788032) is 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc(OC)c1.
What is the InChIKey of 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is ICBMPVOBWQHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-31-19-13-18(14-20(15-19)32-2)27-24(30)26-12-10-22-28-21-9-6-11-25-23(21)29(22)16-17-7-4-3-5-8-17/h3-9,11,13-15H,10,12,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea?
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 431.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 50788032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).